Cs2U2S7
Alexandria ALEXAlex-ID: agm005572151 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_298_spg12
Cs(US3)2 Cs2US4 CsS10
2023-06-05 03:02:48.432681
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005572151).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005572151
data_agm005572151
_cell_length_a 5.25480
_cell_length_b 8.85926
_cell_length_c 9.45695
_cell_angle_alpha 62.06956
_cell_angle_beta 82.02613
_cell_angle_gamma 72.77286
_cell_volume 371.52264
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs1 Cs 0.50000 0.17854 0.64292 1.00000
Cs2 Cs 0.50000 0.82146 0.35708 1.00000
U1 U 0.84496 0.30771 0.00000 1.00000
U2 U 0.15504 0.69229 1.00000 1.00000
S1 S 0.84766 0.15702 0.28531 1.00000
S2 S 0.15234 0.55767 0.28531 1.00000
S3 S 0.15234 0.84298 0.71469 1.00000
S4 S 0.84766 0.44233 0.71469 1.00000
S5 S 0.68557 0.63063 1.00000 1.00000
S6 S 0.00000 0.00000 0.00000 1.00000
S7 S 0.31443 0.36937 0.00000 1.00000
获取直接链接